2-propylmorpholine-3-thione

C7H13NOS — CID 3052691

IUPAC2-propylmorpholine-3-thione
SMILESCCCC1OCCNC1=S
InChIInChI=1S/C7H13NOS/c1-2-3-6-7(10)8-4-5-9-6/h6H,2-5H2,1H3,(H,8,10)
InChIKeyFLMLPJFMYMBUMK-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.10
Rot. Bonds2

About 2-propylmorpholine-3-thione

2-propylmorpholine-3-thione (PubChem CID 3052691) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-propylmorpholine-3-thione.

Molecular Properties

Compound Name2-propylmorpholine-3-thione
PubChem CID3052691
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name2-propylmorpholine-3-thione
SMILESCCCC1OCCNC1=S
InChIInChI=1S/C7H13NOS/c1-2-3-6-7(10)8-4-5-9-6/h6H,2-5H2,1H3,(H,8,10)
InChIKeyFLMLPJFMYMBUMK-UHFFFAOYSA-N
XLogP1.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-5-methyl-5,6-dihydro-2H-1,4-oxazine-3-thiol
CID 3052686
3-Thiomorpholinone, 5-ethyl-2-methyl-
CID 3052687
3-Ethoxypiperidine
CID 4341745
2-Propylmorpholine
CID 20205646
2-Ethyl-5,6-dihydro-2H-1,4-oxazine-3-thiol
CID 3052685
3-Thiomorpholinone, 5-ethyl-2-propyl-
CID 3052688
3-Thiomorpholinone, 2-isopropyl-
CID 3052689
5-Methyl-2-propyl-5,6-dihydro-2H-1,4-oxazine-3-thiol
CID 3052690
(3R)-3-ethoxypiperidine
CID 40607156
(3R,4S)-3-methoxy-4-methylsulfanylpiperidine-2-thione
CID 14805940
2-Piperidinethione, 3-methoxy-4-(methylthio)-
CID 3036840
cis-3-Methoxy-4-methylthio-2-piperidinethione
CID 14805943

Frequently Asked Questions

What is the IUPAC name of 2-propylmorpholine-3-thione?
The IUPAC name of 2-propylmorpholine-3-thione (CID 3052691) is 2-propylmorpholine-3-thione.
What is the SMILES notation for 2-propylmorpholine-3-thione?
The canonical SMILES for 2-propylmorpholine-3-thione is CCCC1OCCNC1=S.
What is the InChIKey of 2-propylmorpholine-3-thione?
The InChIKey is FLMLPJFMYMBUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-2-3-6-7(10)8-4-5-9-6/h6H,2-5H2,1H3,(H,8,10).
What are the key properties of 2-propylmorpholine-3-thione?
2-propylmorpholine-3-thione has a molecular weight of 159.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylmorpholine-3-thione is sourced from PubChem (CID 3052691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).